SCHEMBL2809542

SCHEMBL2809542

COC(=O)[C@H](CCCCCCC(=O)O)NC(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
NAAA Q02083 2/20 0.40
EPHX1 P07099 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
ALDH1A1 P00352 2/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4442492 1.00 HDAC4 (0.51) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL2807876 0.87 HDAC4 (0.53) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL4436769 0.87 HDAC4 (0.53) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL2807880 0.87 HDAC4 (0.53) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL2805504 0.86 HDAC4 (0.52) HDAC4HDAC1EPHX1HDAC6ITGB3
SCHEMBL2805502 0.86 HDAC4 (0.52) HDAC4HDAC1EPHX1HDAC6ITGB3
SCHEMBL2805484 0.86 HDAC4 (0.52) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL2805485 0.86 HDAC4 (0.52) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL2807900 0.84 HDAC4 (0.50) HDAC4HDAC1NAAAEPHX1SIRT2
SCHEMBL2807897 0.84 HDAC4 (0.50) HDAC4HDAC1NAAAEPHX1SIRT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HDAC4 2827/4885HDAC1 1161/4885NAAA 1963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.